7-oxidanyl-N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-5-carboximidamide dihydrochloride

Systemtic Name: 7-oxidanyl-N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-5-carboximidamide dihydrochloride Openeye Name: 7-hydroxy-N'-isopropyl-2-[4-(N'-isopropylcarbamimidoyl)phenyl]benzofuran-5-carboxamidine dihydrochloride CAS Name: 2-[4-[amino(propan-2-ylimino)methyl]phenyl]-7-hydroxy-N'-propan-2-yl-5-benzofurancarboximidamide dihydrochloride IUPAC Name: 7-hydroxy-N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-5-carboximidamide dihydrochloride Traditional Name: 7-hydroxy-N'-isopropyl-2-[4-(N'-isopropylamidino)phenyl]benzofuran-5-carboxamidine dihydrochloride Formula: C22H28Cl2N4O2 MolecularWeight: 451.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC=C(C=C1)C2=CC3=CC(=CC(=C3O2)O)C(=NC(C)C)N)N.Cl.Cl

Isomeric SMILES

CC(C)N=C(C1=CC=C(C=C1)C2=CC3=CC(=CC(=C3O2)O)C(=NC(C)C)N)N.Cl.Cl

InChI

InChI=1S/C22H26N4O2.2ClH/c1-12(2)25-21(23)15-7-5-14(6-8-15)19-11-16-9-17(22(24)26-13(3)4)10-18(27)20(16)28-19;;/h5-13,27H,1-4H3,(H2,23,25)(H2,24,26);2*1H